CID 13181

4-penten-1-ol

Structural Information

Molecular Formula

C₅H₁₀O

SMILES

C=CCCCO

InChI

InChI=1S/C5H10O/c1-2-3-4-5-6/h2,6H,1,3-5H2

InChIKey

LQAVWYMTUMSFBE-UHFFFAOYSA-N

Compound name

pent-4-en-1-ol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 39
References: 17413
Patents: 86.073166 Da
Monoisotopic Mass: 1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	87.080442	116.3
[M+Na]+	109.06238	123.8
[M-H]-	85.065890	115.4
[M+NH4]+	104.10699	139.6
[M+K]+	125.03632	122.9
[M+H-H2O]+	69.070426	112.6
[M+HCOO]-	131.07137	139.4
[M+CH3COO]-	145.08702	162.5
[M+Na-2H]-	107.04783	123.6
[M]+	86.072617	116.0
[M]-	86.073715	116.0

Literature stripe

literature stripe

Patent stripe

patents stripe